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2-(4-methyl-3-oxidanyl-phenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

2-(4-methyl-3-oxidanyl-phenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name:2-(4-methyl-3-oxidanyl-phenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Openeye Name:2-(3-hydroxy-4-methyl-benzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CAS Name:2-[(3-hydroxy-4-methylphenyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
IUPAC Name:2-(3-hydroxy-4-methylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Traditional Name:2-(3-hydroxy-4-methyl-benzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Formula: C18H17NO4
MolecularWeight: 311.33188
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC3=CC=CC=C3CC2C(=O)O)O


Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC3=CC=CC=C3CC2C(=O)O)O


InChI

InChI=1S/C18H17NO4/c1-11-6-7-13(9-16(11)20)17(21)19-10-14-5-3-2-4-12(14)8-15(19)18(22)23/h2-7,9,15,20H,8,10H2,1H3,(H,22,23)


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